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Compound Detail

CHEMBL599201

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N=C(N)c1cc2cc(-c3ccccc3)ccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599201
Phase Preclinical
Structure Type MOL
InChI Key RSJHKRMNCZGVCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
3.85
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2S
MW 252.34
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine